2-tert-butyl-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C18H25N3 — CID 64857874

IUPAC2-tert-butyl-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1cc(C)cc(-n2c(C(C)(C)C)nc3c2CCNC3)c1
InChIInChI=1S/C18H25N3/c1-12-8-13(2)10-14(9-12)21-16-6-7-19-11-15(16)20-17(21)18(3,4)5/h8-10,19H,6-7,11H2,1-5H3
InChIKeyFSJHATWZZWCJAD-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.43
Rot. Bonds1

About 2-tert-butyl-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

2-tert-butyl-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64857874) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-tert-butyl-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64857874
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-tert-butyl-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1cc(C)cc(-n2c(C(C)(C)C)nc3c2CCNC3)c1
InChIInChI=1S/C18H25N3/c1-12-8-13(2)10-14(9-12)21-16-6-7-19-11-15(16)20-17(21)18(3,4)5/h8-10,19H,6-7,11H2,1-5H3
InChIKeyFSJHATWZZWCJAD-UHFFFAOYSA-N
XLogP3.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Disubstituted Pyrimidine 5h
CID 5329443
7,8-Dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
CID 2870375
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 974484
2,4-dimethyl-N-[(1-methyl-1H-benzimidazol-2-yl)methyl]aniline
CID 3336510
4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 797034
Diethyl-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-amine
CID 9903829
1-Benzyl-5-methyl-2-piperazin-1-ylbenzimidazole
CID 10614626
2,3-Dimethyl-8-(2-ethyl-6-methylbenzylamino)imidazo[1,2-a]pyridine
CID 21717337
N,2-bis(4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyrazin-3-amine
CID 49855534
N,2-bis(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine
CID 49857054
2-(4-fluorophenyl)-N-(p-tolyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-amine
CID 58178893
4-N-butyl-6-methyl-5-[3-(2-methylbenzimidazol-1-yl)propyl]pyrimidine-2,4-diamine
CID 135271016

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 2-tert-butyl-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64857874) is 2-tert-butyl-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-tert-butyl-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 2-tert-butyl-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1cc(C)cc(-n2c(C(C)(C)C)nc3c2CCNC3)c1.
What is the InChIKey of 2-tert-butyl-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is FSJHATWZZWCJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-12-8-13(2)10-14(9-12)21-16-6-7-19-11-15(16)20-17(21)18(3,4)5/h8-10,19H,6-7,11H2,1-5H3.
What are the key properties of 2-tert-butyl-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
2-tert-butyl-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 283.42 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64857874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).